N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine

C17H25N3 — CID 79660851

IUPACN'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine
SMILESCCN(Cc1ccc2ncccc2c1)CC(C)(C)CN
InChIInChI=1S/C17H25N3/c1-4-20(13-17(2,3)12-18)11-14-7-8-16-15(10-14)6-5-9-19-16/h5-10H,4,11-13,18H2,1-3H3
InChIKeyBFCLPTYEOGSMSF-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.04
Rot. Bonds6

About N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine (PubChem CID 79660851) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine
PubChem CID79660851
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine
SMILESCCN(Cc1ccc2ncccc2c1)CC(C)(C)CN
InChIInChI=1S/C17H25N3/c1-4-20(13-17(2,3)12-18)11-14-7-8-16-15(10-14)6-5-9-19-16/h5-10H,4,11-13,18H2,1-3H3
InChIKeyBFCLPTYEOGSMSF-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
CID 62008003
3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 113469085
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine
CID 113328871
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
CID 79268844
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
CID 66222730
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine (CID 79660851) is N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine is CCN(Cc1ccc2ncccc2c1)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine?
The InChIKey is BFCLPTYEOGSMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-20(13-17(2,3)12-18)11-14-7-8-16-15(10-14)6-5-9-19-16/h5-10H,4,11-13,18H2,1-3H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine has a molecular weight of 271.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 79660851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).